NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6184 8.3044 118.3346 55.0841 32.7011 174.6885 2 K 4.0289 8.8725 123.0977 57.2044 34.0737 173.2351 3 V 4.6117 9.2171 117.5557 59.9788 33.5551 175.4198 4 R 3.9520 9.5617 127.5620 55.9111 30.7582 176.2245 5 A 4.0805 8.4748 123.8967 55.1135 18.7311 177.3385 6 S 4.7177 7.6391 111.6629 56.2067 61.0200 173.4888 7 V 3.5636 8.1749 123.9709 63.9863 31.2974 178.6222 8 K 3.5740 7.8124 119.5990 55.6954 32.2341 171.8620 9 K 5.0327 8.0596 117.0285 55.5032 36.5310 174.1615 10 L 4.6359 8.3391 122.3234 55.4040 45.2585 179.4302 11 C 4.4821 8.8680 125.5337 58.5618 30.8325 173.3903 12 R 4.0988 8.4953 114.2538 59.0949 29.5980 177.0025 13 N 4.8585 8.1505 115.8699 53.5296 38.4960 173.4682 14 C 5.6647 7.6300 116.5251 57.4754 29.3932 173.5780 15 K 4.2724 8.5615 125.0140 55.2673 33.7797 173.0950 16 I 3.5867 7.6239 121.1249 61.5215 33.2503 172.3446 17 V 4.0569 7.6242 123.4807 61.2083 32.8739 174.6953 18 K 4.9260 8.4546 126.0929 54.5998 33.9929 175.5504 19 R 4.4885 8.0039 124.7057 55.6564 33.3498 175.3471 20 D 4.3559 10.0362 120.4714 55.0387 38.4798 174.7911 21 G 3.8974 8.2694 108.3241 45.2514 0.0000 174.8863 22 V 3.7694 7.9135 120.0026 62.5163 29.6937 173.8846 23 I 4.2128 7.8839 126.7253 61.9892 35.4966 175.8247 24 R 4.7189 8.9220 127.1849 54.5703 33.3294 174.8742 25 V 4.6651 8.0678 118.5255 62.3700 34.7915 173.7614 26 I 4.7201 8.5294 127.9287 59.6923 40.8238 174.0002 27 C 5.9302 8.2459 123.5688 57.0923 34.0922 174.0096 28 S 4.4003 9.0770 120.5004 59.0825 63.6806 174.1828 29 A 4.1486 7.8824 123.2182 51.9627 18.9911 177.1487 30 E 4.5424 8.2412 114.5639 52.7191 32.1810 175.9636 31 P 4.3164 0.0000 0.0000 65.2451 31.6593 178.5644 32 K 4.1402 7.9936 116.4238 58.9110 32.0827 177.4346 33 H 4.3982 7.9362 115.5040 57.6137 29.1183 174.4311 34 K 4.2728 8.2369 121.1293 56.9044 32.6317 175.9652 35 Q 5.3172 8.3509 126.5954 53.6710 32.0780 175.1264 36 R 4.8191 8.4114 120.3881 56.4745 31.8859 178.3907 37 Q 4.0615 9.3817 113.2945 56.2031 29.1546 177.5743 38 G 3.8714 8.3581 106.4632 46.8092 0.0000 172.9655 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.62 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 K 8.87 4.03 0.00 1.87 1.72 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.49 7.81 3 V 9.22 4.61 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.93 0.00 0.00 4 R 9.56 3.95 0.00 1.97 1.95 0.00 3.21 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 5 A 8.47 4.08 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.64 4.72 0.00 3.83 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.17 3.56 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 8 K 7.81 3.57 0.00 1.85 1.81 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.40 7.81 9 K 8.06 5.03 0.00 1.83 1.79 0.00 1.49 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.47 7.81 10 L 8.34 4.64 0.00 1.34 0.65 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.87 4.48 0.00 3.12 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.50 4.10 0.00 2.02 2.23 0.00 2.96 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 13 N 8.15 4.86 0.00 2.80 2.96 0.00 0.00 7.04 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.63 5.66 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.56 4.27 0.00 1.66 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.48 7.81 16 I 7.62 3.59 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.65 0.98 0.00 0.00 17 V 7.62 4.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.93 0.00 0.00 18 K 8.45 4.93 0.00 1.71 1.66 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.41 7.81 19 R 8.00 4.49 0.00 1.84 1.75 0.00 3.32 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 20 D 10.04 4.36 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.27 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.91 3.77 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.99 0.00 0.00 23 I 7.88 4.21 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 0.91 0.00 0.00 24 R 8.92 4.72 0.00 1.88 1.88 0.00 3.13 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 25 V 8.07 4.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.98 0.00 0.00 26 I 8.53 4.72 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.91 0.91 0.00 0.00 27 C 8.25 5.93 0.00 2.99 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 9.08 4.40 0.00 4.08 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.88 4.15 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.24 4.54 0.00 1.66 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 31 P 0.00 4.32 0.00 2.16 2.08 0.00 3.57 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 32 K 7.99 4.14 0.00 1.78 1.91 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.46 7.81 33 H 7.94 4.40 0.00 3.22 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.24 4.27 0.00 1.81 1.89 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.29 7.81 35 Q 8.35 5.32 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 36 R 8.41 4.82 0.00 1.79 1.08 0.00 3.38 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 37 Q 9.38 4.06 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 38 G 8.36 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00